1-(4-methylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Openeye Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitro-1-pyrazolyl)methyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Traditional Name: 1-[(4-nitropyrazol-1-yl)methyl]-4-tosyl-piperazine Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S/c1-13-2-4-15(5-3-13)25(23,24)19-8-6-17(7-9-19)12-18-11-14(10-16-18)20(21)22/h2-5,10-11H,6-9,12H2,1H3